[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol

C12H17N5O — CID 175935264

IUPAC[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
SMILESNc1ncnc2c1cnn2C1CCC(CO)CC1
InChIInChI=1S/C12H17N5O/c13-11-10-5-16-17(12(10)15-7-14-11)9-3-1-8(6-18)2-4-9/h5,7-9,18H,1-4,6H2,(H2,13,14,15)
InChIKeyGXHDSNMHHWOYMX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.13
Rot. Bonds2

About [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol

[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol (PubChem CID 175935264) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
PubChem CID175935264
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
SMILESNc1ncnc2c1cnn2C1CCC(CO)CC1
InChIInChI=1S/C12H17N5O/c13-11-10-5-16-17(12(10)15-7-14-11)9-3-1-8(6-18)2-4-9/h5,7-9,18H,1-4,6H2,(H2,13,14,15)
InChIKeyGXHDSNMHHWOYMX-UHFFFAOYSA-N
XLogP1.13
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol
CID 59796188
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141059458
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 46741392
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 10584870
1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141186691
(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
CID 10243872
1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 142657511
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 141114356
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175893683

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol?
The IUPAC name of [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol (CID 175935264) is [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol is Nc1ncnc2c1cnn2C1CCC(CO)CC1.
What is the InChIKey of [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol?
The InChIKey is GXHDSNMHHWOYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-11-10-5-16-17(12(10)15-7-14-11)9-3-1-8(6-18)2-4-9/h5,7-9,18H,1-4,6H2,(H2,13,14,15).
What are the key properties of [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol?
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 175935264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).